2-azanyl-6-morpholin-4-yl-4-[(phenylmethyl)amino]quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-6-morpholin-4-yl-4-[(phenylmethyl)amino]quinoline-3-carbonitrile Openeye Name: 2-amino-4-(benzylamino)-6-morpholino-quinoline-3-carbonitrile CAS Name: 2-amino-6-(4-morpholinyl)-4-[(phenylmethyl)amino]-3-quinolinecarbonitrile IUPAC Name: 2-amino-4-(benzylamino)-6-morpholin-4-ylquinoline-3-carbonitrile Traditional Name: 2-amino-4-(benzylamino)-6-morpholino-quinoline-3-carbonitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(C(=C3NCC4=CC=CC=C4)C#N)N

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(C(=C3NCC4=CC=CC=C4)C#N)N

InChI

InChI=1S/C21H21N5O/c22-13-18-20(24-14-15-4-2-1-3-5-15)17-12-16(26-8-10-27-11-9-26)6-7-19(17)25-21(18)23/h1-7,12H,8-11,14H2,(H3,23,24,25)