[1-[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]pyrrolidin-3-yl]methanol

Systemtic Name: [1-[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)pyrrolidin-3-yl]methanol CAS Name: [1-[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-3-pyrrolidinyl]methanol IUPAC Name: [1-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)pyrrolidin-3-yl]methanol Traditional Name: [1-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepin-4-yl)pyrrolidin-3-yl]methanol Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CO)C2=NC(=NC3=C2CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1CO)C2=NC(=NC3=C2CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O/c25-14-16-8-11-24(13-16)20-17-6-9-21-10-7-18(17)22-19(23-20)12-15-4-2-1-3-5-15/h1-5,16,21,25H,6-14H2