1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]piperidin-3-amine

Systemtic Name: 1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]piperidin-3-amine Openeye Name: 1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]piperidin-3-amine CAS Name: 1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]-3-piperidinamine IUPAC Name: 1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]piperidin-3-amine Traditional Name: [1-[8-(11H-benzo[c][1]benzazepin-6-ylmethyl)-2-but-2-ynyl-6-methyl-9H-xanthen-1-yl]-3-piperidyl]amine Formula: C38H37N3O MolecularWeight: 551.71988

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC4=NC5=CC=CC=C5CC6=CC=CC=C64)C)N7CCCC(C7)N

Isomeric SMILES

CC#CCC1=C(C2=C(C=C1)OC3=CC(=CC(=C3C2)CC4=NC5=CC=CC=C5CC6=CC=CC=C64)C)N7CCCC(C7)N

InChI

InChI=1S/C38H37N3O/c1-3-4-10-26-16-17-36-33(38(26)41-18-9-13-30(39)24-41)23-32-29(19-25(2)20-37(32)42-36)22-35-31-14-7-5-11-27(31)21-28-12-6-8-15-34(28)40-35/h5-8,11-12,14-17,19-20,30H,9-10,13,18,21-24,39H2,1-2H3